Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	156678
Common Name:	Sebacoyl-L-carnitine
Systematic Name:	(3R)-3-(9-carboxynonanoyloxy)-4-(trimethylammonio)butanoate
RefMet Name:	CAR DC10:0
Synonyms:	CAR DC 10:0 [PubChem Synonyms]
Exact Mass:	345.2151 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C17H31NO6
InChIKey:	GBFPILOKXGQZKW-CQSZACIVSA-N
LIPID MAPS Category:	Fatty Acyls
LIPID MAPS mainclass:	Fatty esters
LIPID MAPS subclass:	Acyl carnitines
SMILES:	C[N+](C)(C)C[C@@H](CC([O-])=O)OC(=O)CCCCCCCCC(O)=O
Studies:	Available studies (via RefMet name)

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External database links:

PubChem CID:	131801579
CHEBI ID:	165625

Calculated physicochemical properties:

No data available

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y